SCHEMBL6572027

SCHEMBL6572027

[O]C(c1ccccc1)(c1ccccc1)C([O])(c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CYP2D6 P10635 1/20 0.33
SRC P12931 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 3/20 0.32
DPP4 P27487 2/20 0.32
KCNN4 O15554 1/20 0.32
F2 P00734 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACP3 P15309 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4269900 0.72 KCNN4 (0.47) CA1CA2CA5ACA9MAPK1
SCHEMBL544573 0.69 TSHR (0.39) CYP2D6SRCMAPK1TSHRDPP4
SCHEMBL17931025 0.69 TSHR (0.39) CYP2D6SRCMAPK1TSHRDPP4
SCHEMBL4284038 0.68 SRC (0.34) CYP2D6SRCCA1CA2CA5A
SCHEMBL4282051 0.66 KCNN4 (0.41) CYP2D6CA1CA2CA5ACA9
SCHEMBL4280463 0.65 DPP4 (0.42) CYP2D6SRCLMNAMAPK1TSHR
SCHEMBL1059023 0.65 MAPK1 (0.42) CNR1CNR2MAPK1KCNN4ALDH1A1
SCHEMBL1053427 0.65 KCNA5 (0.47) CNR1CNR2CYP2D6SRCLMNA
SCHEMBL1059025 0.65 MAPK1 (0.42) CNR1CNR2MAPK1KCNN4ALDH1A1
SCHEMBL8755563 0.65 TSHR (0.36) CYP2D6SRCMAPK1TSHRDPP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970964-B1 Method for producing a titanium complex SUMITOMO CHEMICAL CO (JP) 2004-04-21 EP disclosed
US-6090961-A Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0970964-A2 Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 EP disclosed